naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone

C19H11NO3S — CID 11681524

IUPACnaphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cccs1)c1conc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H11NO3S/c21-18(16-9-4-10-24-16)15-11-23-20-17(15)19(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H
InChIKeyQENKKFZCDWPOBE-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.35
Rot. Bonds4

About naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone

naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone (PubChem CID 11681524) has the molecular formula C19H11NO3S and a molecular weight of 333.37 g/mol. Its IUPAC name is naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
PubChem CID11681524
Molecular FormulaC19H11NO3S
Molecular Weight333.37 g/mol
Exact Mass333.05
IUPAC Namenaphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cccs1)c1conc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H11NO3S/c21-18(16-9-4-10-24-16)15-11-23-20-17(15)19(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H
InChIKeyQENKKFZCDWPOBE-UHFFFAOYSA-N
XLogP4.35
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[3-(thiophene-2-carbonyl)-1,2-oxazol-4-yl]methanone
CID 23792528
isoquinolin-8-yl(thiophen-2-yl)methanone
CID 103133963
isoquinolin-1-yl(thiophen-2-yl)methanone
CID 4738060
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
N-[3-(naphthalene-1-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1273133
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
(4,5-dibromothiophen-2-yl)-naphthalen-1-ylmethanone
CID 80532446
(2-phenyldiazenylphenyl)-thiophen-2-ylmethanone
CID 138980695
(2-methyl-1,3-oxazol-4-yl)-naphthalen-1-ylmethanone
CID 114282561
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 8835489
(5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone
CID 102100854

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone (CID 11681524) is naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone is O=C(c1cccs1)c1conc1C(=O)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is QENKKFZCDWPOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO3S/c21-18(16-9-4-10-24-16)15-11-23-20-17(15)19(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H.
What are the key properties of naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone?
naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 333.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[4-(thiophene-2-carbonyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 11681524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).